2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol

C15H25NO — CID 43207150

IUPAC2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-14(9-17)16-13(5)15-11(3)7-10(2)8-12(15)4/h7-8,13-14,16-17H,6,9H2,1-5H3
InChIKeyYVUPUBNGGSHIGO-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.03
Rot. Bonds5

About 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol

2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol (PubChem CID 43207150) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
PubChem CID43207150
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol
SMILESCCC(CO)NC(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-14(9-17)16-13(5)15-11(3)7-10(2)8-12(15)4/h7-8,13-14,16-17H,6,9H2,1-5H3
InChIKeyYVUPUBNGGSHIGO-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzene-1,3-diol
CID 107711318
(2R)-2-[1-(3,4-dimethylphenyl)ethylamino]butan-1-ol
CID 103922500
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 43190075
2-[1-(2-methylphenyl)ethylamino]butan-1-ol
CID 43207147
(2R)-2-[[(1S)-1-(2-methylphenyl)ethyl]amino]butan-1-ol
CID 28724030
2-[[1-hydroxy-1-(4-methoxy-2,6-dimethylphenyl)propan-2-yl]amino]butan-1-ol
CID 82315876
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
(2R)-2-[1-(4-bromo-3-methylphenyl)ethylamino]butan-1-ol
CID 103949550
2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
CID 65310372
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
2-[1-(5-methylfuran-2-yl)ethylamino]butan-1-ol
CID 43207118

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol?
The IUPAC name of 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol (CID 43207150) is 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol.
What is the SMILES notation for 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol?
The canonical SMILES for 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol is CCC(CO)NC(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol?
The InChIKey is YVUPUBNGGSHIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-14(9-17)16-13(5)15-11(3)7-10(2)8-12(15)4/h7-8,13-14,16-17H,6,9H2,1-5H3.
What are the key properties of 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol?
2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,6-trimethylphenyl)ethylamino]butan-1-ol is sourced from PubChem (CID 43207150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).